Vacuum polarization in molecules. I. Uehling interaction
Radiative corrections to electronic structure are characterized by perturbative expansions in $\ensuremath{\alpha}$ and $Z\ensuremath{\alpha}$, where $\ensuremath{\alpha}$ is the fine-structure constant and $Z$ is the nuclear charge. A formulation of the leading-order $\ensuremath{\alpha}(Z\ensuremath{\alpha})$ Uehling contribution to the renormalized vacuum polarization is reported in a form that is convenient for implementation in computational studies of the relativistic electronic structures of molecules. Benchmark calculations based on these methods are reported that include the leading-order vacuum polarization effects within relativistic mean-field methods for the $\mathrm{E}{119}^{+}$ ion and the closed-shell diatomic species E119F.
Authors
- I. P. Grant (ORCID: https://orcid.org/0000-0001-9700-4275)
- Harry M. Quiney (ORCID: https://orcid.org/0009-0006-7944-0149)
- Donal Flynn
Institutions
- The University of Melbourne (AU)
- University of Cambridge (GB)
- University of Oxford (GB)
Publication Details
- Journal
- Physical review. A/Physical review, A
- Published
- 2025-04-08
- DOI
- https://doi.org/10.1103/physreva.111.042810
- Citations
- 4
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 4.99